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CS-W001157 4
Total: USD 88.00

4-Bromo-5-fluoro-1H-indole

  • CAS No. 1227493-96-0

  • Cat. No. CS-0112853
  • Purity≥98%
  • MDL No.MFCD16609917

*For research and further manufacturing use only, not for direct human use.

4-Bromo-5-fluoro-1H-indole|CS-0112853

Structure of 1227493-96-0

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General Information

  • CAS No. 1227493-96-0
  • Cat. No. CS-0112853
  • Purity ≥98%
  • MDL No. MFCD16609917
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrFN
  • Molecular Weight 214.04
  • Synonym(s) None
  • SMILES FC1=C(Br)C2=C(NC=C2)C=C1

Description

4-Bromo-5-fluoro-1H-indole features a halogenated indole scaffold with strategic bromo and fluoro substituents at the 4- and 5-positions, respectively. This electron-deficient heterocycle enables direct functionalization in cross-coupling reactions and serves as a key building block for bioactive compounds in medicinal chemistry and materials science.

Application

4-Bromo-5-fluoro-1H-indole serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The bromo group facilitates Suzuki, Stille, and Negishi couplings, while the fluoro substituent enhances metabolic stability and modulates electronic properties. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for constructing complex heterocyclic scaffolds and API intermediates.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   15.79
  • LogP   3.0695
  • H_Acceptors   0
  • H_Donors   1
  • Rotatable_Bonds   0

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